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

Systemtic Name: methyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: methyl N-[4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-besyl-phenyl]sulfamic acid methyl ester Formula: C24H27N3O5S2 MolecularWeight: 501.61828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S2/c1-32-34(30,31)26-23-13-12-22(33(28,29)21-10-6-3-7-11-21)17-24(23)27-15-14-25-20(18-27)16-19-8-4-2-5-9-19/h2-13,17,20,25-26H,14-16,18H2,1H3