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

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-methyl-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-yl]ethanoate Openeye Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-methyl-6-oxo-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-yl]acetate CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-methyl-6-oxo-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinyl]acetate IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-methyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-yl]acetate Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-2-methyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazin-2-yl]acetate Formula: C27H29ClN5O5S- MolecularWeight: 571.06766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)CC(=O)[O-]

Isomeric SMILES

CC1(CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)CC(=O)[O-]

InChI

InChI=1S/C27H30ClN5O5S/c1-27(16-26(35)36)18-32(39(37,38)24-5-3-19-14-21(28)4-2-20(19)15-24)17-25(34)33(27)30-22-8-12-31(13-9-22)23-6-10-29-11-7-23/h2-7,10-11,14-15,22,30H,8-9,12-13,16-18H2,1H3,(H,35,36)/p-1