N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamoyl chloride

Systemtic Name: N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamoyl chloride Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamoyl chloride CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamoyl chloride IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamoyl chloride Traditional Name: N-[2-(3-benzylpiperazino)-4-isopropylsulfonyl-phenyl]sulfamoyl chloride Formula: C20H26ClN3O4S2 MolecularWeight: 472.02114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)Cl)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)Cl)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26ClN3O4S2/c1-15(2)29(25,26)18-8-9-19(23-30(21,27)28)20(13-18)24-11-10-22-17(14-24)12-16-6-4-3-5-7-16/h3-9,13,15,17,22-23H,10-12,14H2,1-2H3