5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[3-(4-methylphenyl)propyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[3-(4-methylphenyl)propyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(p-tolyl)propyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[3-(4-methylphenyl)propyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(4-methylphenyl)propyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[3-(p-tolyl)propyl]benzamide Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O3S/c1-18-8-10-19(11-9-18)7-6-14-25-23(27)21-17-20(12-13-22(21)24)30(28,29)26-15-4-2-3-5-16-26/h8-13,17H,2-7,14-16H2,1H3,(H,25,27)