3-azanyl-1-methyl-4-(4-methylphenyl)sulfonyl-2-propanoyl-2-pyrrolidin-2-yl-piperidine-3-carboxamide

Systemtic Name: 3-azanyl-1-methyl-4-(4-methylphenyl)sulfonyl-2-propanoyl-2-pyrrolidin-2-yl-piperidine-3-carboxamide Openeye Name: 3-amino-1-methyl-2-propanoyl-4-(p-tolylsulfonyl)-2-pyrrolidin-2-yl-piperidine-3-carboxamide CAS Name: 3-amino-1-methyl-4-(4-methylphenyl)sulfonyl-2-(1-oxopropyl)-2-(2-pyrrolidinyl)-3-piperidinecarboxamide IUPAC Name: 3-amino-1-methyl-4-(4-methylphenyl)sulfonyl-2-propanoyl-2-pyrrolidin-2-ylpiperidine-3-carboxamide Traditional Name: 3-amino-1-methyl-2-propionyl-2-pyrrolidin-2-yl-4-tosyl-nipecotamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(C(CCN1C)S(=O)(=O)C2=CC=C(C=C2)C)(C(=O)N)N)C3CCCN3

Isomeric SMILES

CCC(=O)C1(C(C(CCN1C)S(=O)(=O)C2=CC=C(C=C2)C)(C(=O)N)N)C3CCCN3

InChI

InChI=1S/C21H32N4O4S/c1-4-17(26)21(16-6-5-12-24-16)20(23,19(22)27)18(11-13-25(21)3)30(28,29)15-9-7-14(2)8-10-15/h7-10,16,18,24H,4-6,11-13,23H2,1-3H3,(H2,22,27)