3-methylsulfanyl-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine

Systemtic Name: 3-methylsulfanyl-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[5-benzyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine CAS Name: 3-(methylthio)-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine IUPAC Name: 1-[5-benzyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-methylsulfanylpiperazine Traditional Name: 1-[5-benzyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-(methylthio)piperazine Formula: C21H29N3O4S3 MolecularWeight: 483.66766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

InChI

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