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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-(1-azepanyl)propyl]-2-methoxy-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-piperidinosulfonyl-benzamide Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C22H35N3O4S/c1-29-21-11-10-19(30(27,28)25-16-7-4-8-17-25)18-20(21)22(26)23-12-9-15-24-13-5-2-3-6-14-24/h10-11,18H,2-9,12-17H2,1H3,(H,23,26)