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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]benzamide Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4S/c1-3-29(4-2)19-16-27-25(31)21-12-14-23(15-13-21)28-26(32)22-10-9-11-24(20-22)35(33,34)30-17-7-5-6-8-18-30/h9-15,20H,3-8,16-19H2,1-2H3,(H,27,31)(H,28,32)