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

Systemtic Name: 1-[2-(phenoxysulfonylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-isopropylsulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine CAS Name: 1-[2-(phenoxysulfonylsulfonylamino)-5-propan-2-ylsulfonylphenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine Traditional Name: 3-benzyl-1-[5-isopropylsulfonyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Formula: C26H31N3O7S3 MolecularWeight: 593.73524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O7S3/c1-20(2)37(30,31)24-13-14-25(28-38(32,33)39(34,35)36-23-11-7-4-8-12-23)26(18-24)29-16-15-27-22(19-29)17-21-9-5-3-6-10-21/h3-14,18,20,22,27-28H,15-17,19H2,1-2H3