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

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-3-keto-propyl]-4-bromo-benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28BrN3O4S/c1-17-6-11-20(16-21(17)32(30,31)27-14-4-2-3-5-15-27)26-22(28)12-13-25-23(29)18-7-9-19(24)10-8-18/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)