1-carbamimidoyl-N-[[1-[2-oxidanylideneethyl(phenethylsulfonyl)amino]pyrrolidin-2-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-carbamimidoyl-N-[[1-[2-oxidanylideneethyl(phenethylsulfonyl)amino]pyrrolidin-2-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-carbamimidoyl-N-[[1-[2-oxoethyl(phenethylsulfonyl)amino]pyrrolidin-2-yl]methyl]piperidine-4-carboxamide CAS Name: 1-carbamimidoyl-N-[[1-[2-oxoethyl(phenethylsulfonyl)amino]-2-pyrrolidinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-carbamimidoyl-N-[[1-[2-oxoethyl(phenethylsulfonyl)amino]pyrrolidin-2-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-amidino-N-[[1-[2-ketoethyl(phenethylsulfonyl)amino]pyrrolidin-2-yl]methyl]isonipecotamide Formula: C22H34N6O4S MolecularWeight: 478.60816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)N(CC=O)S(=O)(=O)CCC2=CC=CC=C2)CNC(=O)C3CCN(CC3)C(=N)N

Isomeric SMILES

C1CC(N(C1)N(CC=O)S(=O)(=O)CCC2=CC=CC=C2)CNC(=O)C3CCN(CC3)C(=N)N

InChI

InChI=1S/C22H34N6O4S/c23-22(24)26-12-8-19(9-13-26)21(30)25-17-20-7-4-11-27(20)28(14-15-29)33(31,32)16-10-18-5-2-1-3-6-18/h1-3,5-6,15,19-20H,4,7-14,16-17H2,(H3,23,24)(H,25,30)