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

Systemtic Name: 1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 3-isopropylsulfonyl-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 1-[2-[(methylthio)sulfonylamino]-5-propylphenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[2-(methylsulfanylsulfonylamino)-5-propylphenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 3-isopropylsulfonyl-1-[2-[(methylthio)sulfonylamino]-5-propyl-phenyl]piperazine Formula: C17H29N3O4S3 MolecularWeight: 435.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C17H29N3O4S3/c1-5-6-14-7-8-15(19-27(23,24)25-4)16(11-14)20-10-9-18-17(12-20)26(21,22)13(2)3/h7-8,11,13,17-19H,5-6,9-10,12H2,1-4H3