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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O4S/c1-31-22-13-8-19(18-23(22)32(29,30)27-16-6-7-17-27)24(28)25-20-9-11-21(12-10-20)26-14-4-2-3-5-15-26/h8-13,18H,2-7,14-17H2,1H3,(H,25,28)