cyclopropylmethyl-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium

Systemtic Name: cyclopropylmethyl-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: cyclopropylmethyl-isopropyl-[2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: cyclopropylmethyl-[2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-propan-2-ylammonium IUPAC Name: cyclopropylmethyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-propan-2-ylazanium Traditional Name: cyclopropylmethyl-isopropyl-[2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl]ammonium Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1CC1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)[NH+](CC1CC1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-16(2)23(14-17-7-8-17)15-21(25)22-18-9-10-19(28-3)20(13-18)29(26,27)24-11-5-4-6-12-24/h9-10,13,16-17H,4-8,11-12,14-15H2,1-3H3,(H,22,25)/p+1