propyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate

Systemtic Name: propyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: propyl N-[4-[[2-oxo-4-(4-vinylphenyl)sulfonyl-piperazin-1-yl]methyl]-1-(4-pyridyl)-4-piperidyl]carbamate CAS Name: N-[4-[[4-(4-ethenylphenyl)sulfonyl-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid propyl ester IUPAC Name: propyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl]carbamate Traditional Name: N-[4-[[2-keto-4-(4-vinylphenyl)sulfonyl-piperazino]methyl]-1-(4-pyridyl)-4-piperidyl]carbamic acid propyl ester Formula: C27H35N5O5S MolecularWeight: 541.6623

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CCCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

InChI=1S/C27H35N5O5S/c1-3-19-37-26(34)29-27(11-15-30(16-12-27)23-9-13-28-14-10-23)21-31-17-18-32(20-25(31)33)38(35,36)24-7-5-22(4-2)6-8-24/h4-10,13-14H,2-3,11-12,15-21H2,1H3,(H,29,34)