N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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