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

Systemtic Name: [(1S)-2-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[[1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C24H36N5O4S+ MolecularWeight: 490.63874

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)C3=CC=CC=C3

InChI

InChI=1S/C24H35N5O4S/c1-4-28(5-2)22(18-9-7-6-8-10-18)16-26-24(31)19-11-13-29(14-12-19)34(32,33)20-15-21(23(25)30)27(3)17-20/h6-10,15,17,19,22H,4-5,11-14,16H2,1-3H3,(H2,25,30)(H,26,31)/p+1/t22-/m1/s1