[(1S)-2-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C20H30N5O4S2+ MolecularWeight: 468.6133

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C20H29N5O4S2/c1-23(2)18(15-6-9-30-13-15)11-22-20(27)14-4-7-25(8-5-14)31(28,29)16-10-17(19(21)26)24(3)12-16/h6,9-10,12-14,18H,4-5,7-8,11H2,1-3H3,(H2,21,26)(H,22,27)/p+1/t18-/m1/s1