methyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamate

Systemtic Name: methyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamate CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-isopropylsulfonyl-phenyl]sulfamic acid methyl ester Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S2/c1-16(2)30(25,26)19-9-10-20(23-31(27,28)29-3)21(14-19)24-12-11-22-18(15-24)13-17-7-5-4-6-8-17/h4-10,14,16,18,22-23H,11-13,15H2,1-3H3