N-[3-(azepan-1-yl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Openeye Name: 4-[allyl(methylsulfonyl)amino]-N-[3-(azepan-1-yl)propyl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide Traditional Name: 4-[allyl(mesyl)amino]-N-[3-(azepan-1-yl)propyl]benzamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCCN2CCCCCC2

Isomeric SMILES

CS(=O)(=O)N(CC=C)C1=CC=C(C=C1)C(=O)NCCCN2CCCCCC2

InChI

InChI=1S/C20H31N3O3S/c1-3-14-23(27(2,25)26)19-11-9-18(10-12-19)20(24)21-13-8-17-22-15-6-4-5-7-16-22/h3,9-12H,1,4-8,13-17H2,2H3,(H,21,24)