ethyl 4-[[1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonyl]piperidin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonyl]nipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N4O7S MolecularWeight: 494.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C

InChI

InChI=1S/C22H30N4O7S/c1-3-32-22(29)25-11-8-16(9-12-25)23-20(27)15-5-4-10-26(14-15)34(30,31)17-6-7-18-19(13-17)33-21(28)24(18)2/h6-7,13,15-16H,3-5,8-12,14H2,1-2H3,(H,23,27)