4-chloranyl-N-[3-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[3-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-oxidanylidene-propyl]benzamide Openeye Name: 4-chloro-N-[3-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-oxo-propyl]benzamide CAS Name: 4-chloro-N-[3-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-oxopropyl]benzamide IUPAC Name: 4-chloro-N-[3-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-oxopropyl]benzamide Traditional Name: 4-chloro-N-[3-keto-3-(4-mesyl-1,4-diazepan-1-yl)propyl]benzamide Formula: C16H22ClN3O4S MolecularWeight: 387.88158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3O4S/c1-25(23,24)20-10-2-9-19(11-12-20)15(21)7-8-18-16(22)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H,18,22)