1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]-3-(phenylmethyl)piperazine

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-isopropylsulfonyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 1-[2-[(methylthio)sulfonylamino]-5-propan-2-ylsulfonylphenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine Traditional Name: 3-benzyl-1-[5-isopropylsulfonyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C21H29N3O4S3 MolecularWeight: 483.66766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S3/c1-16(2)30(25,26)19-9-10-20(23-31(27,28)29-3)21(14-19)24-12-11-22-18(15-24)13-17-7-5-4-6-8-17/h4-10,14,16,18,22-23H,11-13,15H2,1-3H3