propyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate

Systemtic Name: propyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]methyl]-1-pyridin-4-yl-piperidin-4-yl]carbamate Openeye Name: propyl N-[4-[[3-oxo-4-(4-vinylphenyl)sulfonyl-piperazin-2-yl]methyl]-1-(4-pyridyl)-4-piperidyl]carbamate CAS Name: N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxo-2-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinyl]carbamic acid propyl ester IUPAC Name: propyl N-[4-[[4-(4-ethenylphenyl)sulfonyl-3-oxopiperazin-2-yl]methyl]-1-pyridin-4-ylpiperidin-4-yl]carbamate Traditional Name: N-[4-[[3-keto-4-(4-vinylphenyl)sulfonyl-piperazin-2-yl]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)CC3C(=O)N(CCN3)S(=O)(=O)C4=CC=C(C=C4)C=C

Isomeric SMILES

CCCOC(=O)NC1(CCN(CC1)C2=CC=NC=C2)CC3C(=O)N(CCN3)S(=O)(=O)C4=CC=C(C=C4)C=C

InChI

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