N-(3-chloranyl-4-methoxy-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N-(3-chloro-4-methoxy-phenyl)methanesulfonamide CAS Name: N-(3-chloro-4-methoxyphenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-N-(3-chloro-4-methoxy-phenyl)methanesulfonamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-29-20-9-8-18(14-19(20)22)25(30(2,27)28)16-21(26)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3