2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[2-methoxy-5-methyl-N-(p-tolylsulfonyl)anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(2-methoxy-5-methyl-N-tosyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=C(C=CC(=C4)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C28H33N3O4S/c1-21-6-13-25(14-7-21)36(33,34)31(26-18-22(2)8-15-27(26)35-3)20-28(32)29-19-23-9-11-24(12-10-23)30-16-4-5-17-30/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H,29,32)