N-[2-(azepan-1-ylcarbonyl)phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methoxy-5-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-methoxy-5-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methoxy-5-(4-methylpiperidino)sulfonyl-benzamide Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NC3=CC=CC=C3C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O5S/c1-20-13-17-30(18-14-20)36(33,34)21-11-12-25(35-2)23(19-21)26(31)28-24-10-6-5-9-22(24)27(32)29-15-7-3-4-8-16-29/h5-6,9-12,19-20H,3-4,7-8,13-18H2,1-2H3,(H,28,31)