2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-piperazin-1-ylcarbonyl-1-pyridin-4-yl-piperidin-4-yl]carbamoyloxy]ethanoic acid

Systemtic Name: 2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-piperazin-1-ylcarbonyl-1-pyridin-4-yl-piperidin-4-yl]carbamoyloxy]ethanoic acid Openeye Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-(piperazine-1-carbonyl)-1-(4-pyridyl)-4-piperidyl]carbamoyloxy]acetic acid CAS Name: 2-[[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-[oxo(1-piperazinyl)methyl]-1-pyridin-4-yl-4-piperidinyl]amino]-oxomethoxy]acetic acid IUPAC Name: 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-(piperazine-1-carbonyl)-1-pyridin-4-ylpiperidin-4-yl]carbamoyloxy]acetic acid Traditional Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-(piperazine-1-carbonyl)-1-(4-pyridyl)-4-piperidyl]carbamoyloxy]acetic acid Formula: C28H30ClN5O7S MolecularWeight: 616.0851

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1(NC(=O)OCC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)N4CCNCC4)C5=CC=NC=C5

Isomeric SMILES

C1CN(C(CC1(NC(=O)OCC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)N4CCNCC4)C5=CC=NC=C5

InChI

InChI=1S/C28H30ClN5O7S/c29-21-3-1-20-16-23(4-2-19(20)15-21)42(39,40)28(32-27(38)41-18-25(35)36)7-12-34(22-5-8-30-9-6-22)24(17-28)26(37)33-13-10-31-11-14-33/h1-6,8-9,15-16,24,31H,7,10-14,17-18H2,(H,32,38)(H,35,36)