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

Systemtic Name: ethyl-[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: ethyl-[2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: ethyl-[2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: ethyl-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: ethyl-[2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]-(2-thenyl)ammonium Formula: C21H30N3O4S2+ MolecularWeight: 452.6106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S2/c1-3-23(15-17-8-7-13-29-17)16-21(25)22-19-14-18(9-10-20(19)28-2)30(26,27)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3,(H,22,25)/p+1