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

Systemtic Name: 1-[5-methyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[2-(isopropylsulfonylsulfonylamino)-5-methyl-phenyl]piperazine CAS Name: 1-[5-methyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[5-methyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-benzyl-1-[2-(isopropylsulfonylsulfonylamino)-5-methyl-phenyl]piperazine Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S2/c1-16(2)29(25,26)30(27,28)23-20-10-9-17(3)13-21(20)24-12-11-22-19(15-24)14-18-7-5-4-6-8-18/h4-10,13,16,19,22-23H,11-12,14-15H2,1-3H3