N-[4-(azepan-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-(mesylmethyl)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-27(25,26)16-17-7-6-8-18(15-17)21(24)22-19-9-11-20(12-10-19)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3,(H,22,24)