methyl 2-[(1-azanyl-6-oxidanylidene-piperazin-2-yl)carbonyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-2-(6-chloranylnaphthalen-2-yl)sulfonyl-ethanoate

Systemtic Name: methyl 2-[(1-azanyl-6-oxidanylidene-piperazin-2-yl)carbonyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-2-(6-chloranylnaphthalen-2-yl)sulfonyl-ethanoate Openeye Name: methyl 2-[(1-amino-6-oxo-piperazine-2-carbonyl)-[1-(4-pyridyl)-4-piperidyl]amino]-2-[(6-chloro-2-naphthyl)sulfonyl]acetate CAS Name: 2-[[(1-amino-6-oxo-2-piperazinyl)-oxomethyl]-(1-pyridin-4-yl-4-piperidinyl)amino]-2-[(6-chloro-2-naphthalenyl)sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1-amino-6-oxopiperazine-2-carbonyl)-(1-pyridin-4-ylpiperidin-4-yl)amino]-2-(6-chloronaphthalen-2-yl)sulfonylacetate Traditional Name: 2-[(1-amino-6-keto-piperazine-2-carbonyl)-[1-(4-pyridyl)-4-piperidyl]amino]-2-[(6-chloro-2-naphthyl)sulfonyl]acetic acid methyl ester Formula: C28H31ClN6O6S MolecularWeight: 615.10034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(N(C1CCN(CC1)C2=CC=NC=C2)C(=O)C3CNCC(=O)N3N)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)C(N(C1CCN(CC1)C2=CC=NC=C2)C(=O)C3CNCC(=O)N3N)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN6O6S/c1-41-28(38)27(42(39,40)23-5-3-18-14-20(29)4-2-19(18)15-23)34(26(37)24-16-32-17-25(36)35(24)30)22-8-12-33(13-9-22)21-6-10-31-11-7-21/h2-7,10-11,14-15,22,24,27,32H,8-9,12-13,16-17,30H2,1H3