2-[4-(4-methoxybutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-methoxybutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-methoxybutanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(4-methoxy-1-oxobutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-methoxybutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-methoxybutanoyl)piperazino]sulfonylbenzonitrile Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

COCCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H21N3O4S/c1-23-12-4-7-16(20)18-8-10-19(11-9-18)24(21,22)15-6-3-2-5-14(15)13-17/h2-3,5-6H,4,7-12H2,1H3