2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide CAS Name: 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]-N-(4-pyrrolidinosulfonylbenzyl)acetamide Formula: C23H31N3O6S2 MolecularWeight: 509.63874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C23H31N3O6S2/c1-4-32-22-12-11-21(15-18(22)2)33(28,29)25(3)17-23(27)24-16-19-7-9-20(10-8-19)34(30,31)26-13-5-6-14-26/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,24,27)