methyl N-[4-phenyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate

Systemtic Name: methyl N-[4-phenyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Openeye Name: methyl N-[2-(3-isopropylsulfonylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate CAS Name: N-[4-phenyl-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-phenyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[2-(3-isopropylsulfonylpiperazino)-4-phenyl-phenyl]sulfamic acid methyl ester 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)C3=CC=CC=C3)NS(=O)(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S2/c1-15(2)29(24,25)20-14-23(12-11-21-20)19-13-17(16-7-5-4-6-8-16)9-10-18(19)22-30(26,27)28-3/h4-10,13,15,20-22H,11-12,14H2,1-3H3