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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)SC

InChI

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