N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(3-pyridylmethyl)benzamide CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-3-methoxy-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-3-methoxy-N-(3-pyridylmethyl)benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-29-21-10-6-9-20(16-21)22(26)24(18-19-8-7-11-23-17-19)14-15-30(27,28)25-12-4-2-3-5-13-25/h6-11,16-17H,2-5,12-15,18H2,1H3