3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(3-methylphenyl)propyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(3-methylphenyl)propyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(m-tolyl)propyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-(3-methylphenyl)propyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(3-methylphenyl)propyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(m-tolyl)propyl]benzamide Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CCCNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29ClN2O3S/c1-18-8-6-9-19(16-18)10-7-13-25-23(27)20-11-12-21(24)22(17-20)30(28,29)26-14-4-2-3-5-15-26/h6,8-9,11-12,16-17H,2-5,7,10,13-15H2,1H3,(H,25,27)