2-[4-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]phenyl]ethanenitrile Openeye Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]phenyl]acetonitrile CAS Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]phenyl]acetonitrile IUPAC Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]phenyl]acetonitrile Traditional Name: 2-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]phenyl]acetonitrile Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-15-3-2-12-23(14-15)29(27,28)18-8-9-19(20(13-18)24(25)26)22-17-6-4-16(5-7-17)10-11-21/h4-9,13,15,22H,2-3,10,12,14H2,1H3/t15-/m0/s1