N-[3-(azepan-1-yl)propyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-2-methoxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-pyrrolidinosulfonyl-benzamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-28-20-10-9-18(29(26,27)24-15-6-7-16-24)17-19(20)21(25)22-11-8-14-23-12-4-2-3-5-13-23/h9-10,17H,2-8,11-16H2,1H3,(H,22,25)