methyl N-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate

Systemtic Name: methyl N-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Openeye Name: methyl N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Traditional Name: N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]carbamic acid methyl ester Formula: C27H31ClN5O5S+ MolecularWeight: 573.08354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN5O5S/c1-38-27(35)30-33(39(36,37)25-5-3-21-16-23(28)4-2-22(21)17-25)15-14-32(26(34)19-33)18-20-8-12-31(13-9-20)24-6-10-29-11-7-24/h2-7,10-11,16-17,20H,8-9,12-15,18-19H2,1H3/p+1