ethyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 3-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[4-[(3-methyl-1-piperidinyl)sulfonyl]anilino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[4-(3-methylpiperidino)sulfonylphenyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)23-12-5-7-17(15-23)20(25)22-18-8-10-19(11-9-18)30(27,28)24-13-4-6-16(2)14-24/h8-11,16-17H,3-7,12-15H2,1-2H3,(H,22,25)