3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide Formula: C26H35ClN4O4S MolecularWeight: 535.0985

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H35ClN4O4S/c1-3-30(4-2)18-15-28-25(32)20-9-12-22(13-10-20)29-26(33)21-11-14-23(27)24(19-21)36(34,35)31-16-7-5-6-8-17-31/h9-14,19H,3-8,15-18H2,1-2H3,(H,28,32)(H,29,33)