N-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-benzamide

Systemtic Name: N-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-benzamide Openeye Name: N-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-3-bromo-benzamide CAS Name: N-[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-3-bromobenzamide IUPAC Name: N-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-3-bromobenzamide Traditional Name: N-[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-3-bromo-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O4S/c22-17-7-5-6-16(14-17)21(27)23-15-20(26)24-18-8-10-19(11-9-18)30(28,29)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13,15H2,(H,23,27)(H,24,26)