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

Systemtic Name: ethyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: ethyl N-[4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-(benzenesulfonyl)-2-(3-benzylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-besyl-phenyl]sulfamic acid ethyl ester Formula: C25H29N3O5S2 MolecularWeight: 515.64486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S2/c1-2-33-35(31,32)27-24-14-13-23(34(29,30)22-11-7-4-8-12-22)18-25(24)28-16-15-26-21(19-28)17-20-9-5-3-6-10-20/h3-14,18,21,26-27H,2,15-17,19H2,1H3