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

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-(2-thenyl)ammonium Formula: C17H21ClN3O3S2+ MolecularWeight: 414.94994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH2+]CC3=CC=CS3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH2+]CC3=CC=CS3

InChI

InChI=1S/C17H20ClN3O3S2/c18-15-6-5-14(26(23,24)21-7-1-2-8-21)10-16(15)20-17(22)12-19-11-13-4-3-9-25-13/h3-6,9-10,19H,1-2,7-8,11-12H2,(H,20,22)/p+1