N-[3-(azepan-1-yl)propyl]-2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetamide Formula: C25H34BrN3O4S MolecularWeight: 552.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C25H34BrN3O4S/c1-20-8-10-21(11-9-20)29(34(31,32)22-12-13-24(33-2)23(26)18-22)19-25(30)27-14-7-17-28-15-5-3-4-6-16-28/h8-13,18H,3-7,14-17,19H2,1-2H3,(H,27,30)