N-[1-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]methanesulfonamide

Systemtic Name: N-[1-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]methanesulfonamide Openeye Name: N-[1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]methanesulfonamide CAS Name: N-[1-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]methanesulfonamide IUPAC Name: N-[1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]methanesulfonamide Traditional Name: N-[1-[(7-chloro-2H-chromen-3-yl)sulfonyl]-3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]methanesulfonamide Formula: C25H31ClN5O6S2+ MolecularWeight: 597.12654

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

Isomeric SMILES

CS(=O)(=O)N[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

InChI

InChI=1S/C25H31ClN5O6S2/c1-38(33,34)28-31(39(35,36)23-14-20-2-3-21(26)15-24(20)37-18-23)13-12-30(25(32)17-31)16-19-6-10-29(11-7-19)22-4-8-27-9-5-22/h2-5,8-9,14-15,19,28H,6-7,10-13,16-18H2,1H3/q+1