[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C19H25ClN3O3S2+ MolecularWeight: 443.0031

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C19H24ClN3O3S2/c1-22(13-15-6-5-11-27-15)14-19(24)21-18-12-16(7-8-17(18)20)28(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,21,24)/p+1