N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl-[(4-methylphenyl)methyl]amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl-[(4-methylphenyl)methyl]amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl(p-tolylmethyl)amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[cyclopropyl-[(4-methylphenyl)methyl]amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[cyclopropyl-[(4-methylphenyl)methyl]amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[cyclopropyl-(4-methylbenzyl)amino]acetamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C4CC4

InChI

InChI=1S/C26H35N3O4S/c1-20-7-9-21(10-8-20)18-28(22-11-12-22)19-26(30)27-24-17-23(13-14-25(24)33-2)34(31,32)29-15-5-3-4-6-16-29/h7-10,13-14,17,22H,3-6,11-12,15-16,18-19H2,1-2H3,(H,27,30)