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

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]naphthalene-2-sulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]naphthalene-2-sulfonamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]naphthalene-2-sulfonamide Formula: C25H27N4O3S2+ MolecularWeight: 495.63688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H26N4O3S2/c30-25(11-12-26-34(31,32)21-10-9-19-5-1-2-6-20(19)17-21)29-15-13-28(14-16-29)18-24-27-22-7-3-4-8-23(22)33-24/h1-10,17,26H,11-16,18H2/p+1