ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H33ClN5O5S+ MolecularWeight: 587.11012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C28H32ClN5O5S/c1-2-39-28(36)31-34(40(37,38)26-6-4-22-17-24(29)5-3-23(22)18-26)16-15-33(27(35)20-34)19-21-9-13-32(14-10-21)25-7-11-30-12-8-25/h3-8,11-12,17-18,21H,2,9-10,13-16,19-20H2,1H3/p+1