azepan-1-yl-[1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[3-methyl-5-[(E)-2-(2-thienyl)vinyl]isoxazol-4-yl]sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-4-isoxazolyl]sulfonyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[3-methyl-5-[(E)-2-(2-thienyl)vinyl]isoxazol-4-yl]sulfonyl-4-piperidyl]methanone Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)C=CC4=CC=CS4

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H29N3O4S2/c1-17-21(20(29-23-17)9-8-19-7-6-16-30-19)31(27,28)25-14-10-18(11-15-25)22(26)24-12-4-2-3-5-13-24/h6-9,16,18H,2-5,10-15H2,1H3/b9-8+