N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-[1-oxo-2-(1-pyrrolidinyl)propyl]-1-piperazinyl]methyl]-2-indolecarboxamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[4-(2-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]methyl]indole-2-carboxamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-1-methyl-7-[[4-(2-pyrrolidinopropanoyl)piperazino]methyl]indole-2-carboxamide Formula: C34H48N6O5S MolecularWeight: 652.84712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC3=C2N(C(=C3)C(=O)NC4=C(C(=CC(=C4)C(C)(C)C)NS(=O)(=O)C)OC)C)N5CCCC5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC3=C2N(C(=C3)C(=O)NC4=C(C(=CC(=C4)C(C)(C)C)NS(=O)(=O)C)OC)C)N5CCCC5

InChI

InChI=1S/C34H48N6O5S/c1-23(39-13-8-9-14-39)33(42)40-17-15-38(16-18-40)22-25-12-10-11-24-19-29(37(5)30(24)25)32(41)35-27-20-26(34(2,3)4)21-28(31(27)45-6)36-46(7,43)44/h10-12,19-21,23,36H,8-9,13-18,22H2,1-7H3,(H,35,41)