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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(4-bromophenyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-bromoanilino)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-bromoanilino)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-bromoanilino)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-bromoanilino)acetamide Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O4S/c1-29-20-11-10-18(30(27,28)25-12-4-2-3-5-13-25)14-19(20)24-21(26)15-23-17-8-6-16(22)7-9-17/h6-11,14,23H,2-5,12-13,15H2,1H3,(H,24,26)