dimethyl-[(1S)-2-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)propanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propanoylamino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propanoylamino]-1-phenyl-ethyl]ammonium Formula: C26H36N5O3S+ MolecularWeight: 498.66074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NCC(C4=CC=CC=C4)[NH+](C)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC[C@H](C4=CC=CC=C4)[NH+](C)C

InChI

InChI=1S/C26H35N5O3S/c1-29(2)24(20-10-6-4-7-11-20)19-27-26(32)15-14-25-28-22-18-21(12-13-23(22)30(25)3)35(33,34)31-16-8-5-9-17-31/h4,6-7,10-13,18,24H,5,8-9,14-17,19H2,1-3H3,(H,27,32)/p+1/t24-/m1/s1