N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-5-(1-azepanylsulfonyl)-2-methoxybenzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-5-(azepan-1-ylsulfonyl)-2-methoxy-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)N2CCCCCC2)C(=O)NCCN3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCN3CCCCCC3

InChI

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