(phenylmethyl) N-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-(piperidin-4-ylmethyl)-4-pyridin-4-yl-piperazin-1-ium-1-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-2-(piperidin-4-ylmethyl)-4-pyridin-4-yl-piperazin-1-ium-1-yl]carbamate Openeye Name: benzyl N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-2-(4-piperidylmethyl)-4-(4-pyridyl)piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-2-(4-piperidinylmethyl)-4-pyridin-4-yl-1-piperazin-1-iumyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxo-2-(piperidin-4-ylmethyl)-4-pyridin-4-ylpiperazin-1-ium-1-yl]carbamate Traditional Name: N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-2-(4-piperidylmethyl)-4-(4-pyridyl)piperazin-1-ium-1-yl]carbamic acid benzyl ester Formula: C33H35ClN5O5S+ MolecularWeight: 649.1795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2C(=O)N(CC[N+]2(NC(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C6=CC=NC=C6

Isomeric SMILES

C1CNCCC1CC2C(=O)N(CC[N+]2(NC(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C6=CC=NC=C6

InChI

InChI=1S/C33H34ClN5O5S/c34-28-8-6-27-22-30(9-7-26(27)21-28)45(42,43)39(37-33(41)44-23-25-4-2-1-3-5-25)19-18-38(29-12-16-36-17-13-29)32(40)31(39)20-24-10-14-35-15-11-24/h1-9,12-13,16-17,21-22,24,31,35H,10-11,14-15,18-20,23H2/p+1