[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamic acid

Systemtic Name: [2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamic acid Openeye Name: [2-(3-benzylpiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamic acid CAS Name: [2-[3-(phenylmethyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamic acid IUPAC Name: [2-(3-benzylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamic acid Traditional Name: [2-(3-benzylpiperazino)-4-isopropylsulfonyl-phenyl]sulfamic acid Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S2/c1-15(2)29(24,25)18-8-9-19(22-30(26,27)28)20(13-18)23-11-10-21-17(14-23)12-16-6-4-3-5-7-16/h3-9,13,15,17,21-22H,10-12,14H2,1-2H3,(H,26,27,28)