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

Systemtic Name: [4-(phenylmethyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Openeye Name: [4-benzyl-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]sulfamic acid CAS Name: [4-(phenylmethyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid IUPAC Name: [4-benzyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [4-benzyl-2-(3-isopropylsulfonylpiperazino)phenyl]sulfamic acid Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)O

InChI

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