N-[4-[[4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(5-chloro-2-methoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O4S/c1-16(26)23-19-7-4-17(5-8-19)15-24-10-3-11-25(13-12-24)30(27,28)21-14-18(22)6-9-20(21)29-2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)