1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C14H18ClN5O3S2 MolecularWeight: 403.90742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C=NC=N2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C=NC=N2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C14H18ClN5O3S2/c15-12-3-4-14(24-12)25(22,23)20-8-6-18(7-9-20)13(21)2-1-5-19-11-16-10-17-19/h3-4,10-11H,1-2,5-9H2