N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]naphthalene-2-sulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]naphthalene-2-sulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]naphthalene-2-sulfonamide Formula: C25H28N3O5S+ MolecularWeight: 482.57192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H27N3O5S/c29-25(9-10-26-34(30,31)22-7-6-20-3-1-2-4-21(20)16-22)28-13-11-27(12-14-28)17-19-5-8-23-24(15-19)33-18-32-23/h1-8,15-16,26H,9-14,17-18H2/p+1