ethyl 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-[[1-(2-naphthylsulfonyl)-4-piperidyl]methylamino]pyrimidine-5-carboxylate CAS Name: 2-[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]methylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylate Traditional Name: 2-[[1-(2-naphthylsulfonyl)-4-piperidyl]methylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)NCC2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)NCC2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H26N4O4S/c1-2-31-22(28)20-15-25-23(26-16-20)24-14-17-9-11-27(12-10-17)32(29,30)21-8-7-18-5-3-4-6-19(18)13-21/h3-8,13,15-17H,2,9-12,14H2,1H3,(H,24,25,26)