2-but-3-enoxy-N-[(2R,3S)-1-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanyl-oct-7-en-3-yl]-3-oxidanyl-benzamide

Systemtic Name: 2-but-3-enoxy-N-[(2R,3S)-1-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-2-oxidanyl-oct-7-en-3-yl]-3-oxidanyl-benzamide Openeye Name: 2-but-3-enoxy-3-hydroxy-N-[(1S)-1-[(1R)-1-hydroxy-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]ethyl]hex-5-enyl]benzamide CAS Name: 2-but-3-enoxy-3-hydroxy-N-[(2R,3S)-2-hydroxy-1-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]oct-7-en-3-yl]benzamide IUPAC Name: 2-but-3-enoxy-3-hydroxy-N-[(2R,3S)-2-hydroxy-1-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]oct-7-en-3-yl]benzamide Traditional Name: 2-but-3-enoxy-3-hydroxy-N-[(1S)-1-[(1R)-1-hydroxy-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]ethyl]hex-5-enyl]benzamide Formula: C30H42N2O7S MolecularWeight: 574.72868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CCCC=C)NC(=O)C1=C(C(=CC=C1)O)OCCC=C)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CCCC=C)NC(=O)C1=C(C(=CC=C1)O)OCCC=C)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C30H42N2O7S/c1-6-8-10-13-26(31-30(35)25-12-11-14-27(33)29(25)39-19-9-7-2)28(34)21-32(20-22(3)4)40(36,37)24-17-15-23(38-5)16-18-24/h6-7,11-12,14-18,22,26,28,33-34H,1-2,8-10,13,19-21H2,3-5H3,(H,31,35)/t26-,28+/m0/s1