N-[2-(azepan-1-yl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-5-(4-methylpiperidino)sulfonyl-benzamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCCN3CCCCCC3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCCN3CCCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-18-9-14-25(15-10-18)29(27,28)20-8-7-19(2)21(17-20)22(26)23-11-16-24-12-5-3-4-6-13-24/h7-8,17-18H,3-6,9-16H2,1-2H3,(H,23,26)