5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-indolin-1-ylsulfonyl-2-methoxy-benzamide CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-indolin-1-ylsulfonyl-2-methoxy-benzamide Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)NC4CC[NH+](C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)N[C@H]4CC[NH+](C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4S/c1-34-26-12-11-23(35(32,33)30-16-13-21-9-5-6-10-25(21)30)17-24(26)27(31)28-22-14-15-29(19-22)18-20-7-3-2-4-8-20/h2-12,17,22H,13-16,18-19H2,1H3,(H,28,31)/p+1/t22-/m0/s1