2-[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylphenoxy]-6-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylphenoxy]-6-chloranyl-benzenecarbonitrile Openeye Name: 2-[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylphenoxy]-6-chloro-benzonitrile CAS Name: 2-[4-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]sulfonyl]phenoxy]-6-chlorobenzonitrile IUPAC Name: 2-[4-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylphenoxy]-6-chlorobenzonitrile Traditional Name: 2-[4-[4-(4-tert-butylbenzyl)piperazino]sulfonylphenoxy]-6-chloro-benzonitrile Formula: C28H30ClN3O3S MolecularWeight: 524.0741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=C(C(=CC=C4)Cl)C#N

InChI

InChI=1S/C28H30ClN3O3S/c1-28(2,3)22-9-7-21(8-10-22)20-31-15-17-32(18-16-31)36(33,34)24-13-11-23(12-14-24)35-27-6-4-5-26(29)25(27)19-30/h4-14H,15-18,20H2,1-3H3