[4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid

Systemtic Name: [4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [4-[4-(2-naphthylmethyl)piperazin-1-yl]phenyl]sulfamic acid CAS Name: [4-[4-(2-naphthalenylmethyl)-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid Traditional Name: [4-[4-(2-naphthylmethyl)piperazino]phenyl]sulfamic acid Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)NS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)NS(=O)(=O)O

InChI

InChI=1S/C21H23N3O3S/c25-28(26,27)22-20-7-9-21(10-8-20)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15,22H,11-14,16H2,(H,25,26,27)