3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-4-methyl-benzamide Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O6S2/c1-19-9-10-20(17-24(19)36(32,33)28-13-5-3-4-6-14-28)25(29)26-22-18-21(11-12-23(22)34-2)35(30,31)27-15-7-8-16-27/h9-12,17-18H,3-8,13-16H2,1-2H3,(H,26,29)