2-[3-(2,2-dimethylpropanoylamino)-4-[(4-hexoxyphenyl)-(sulfinoamino)amino]phenyl]-1,3,5-tri(propan-2-yl)benzene

Systemtic Name: 2-[3-(2,2-dimethylpropanoylamino)-4-[(4-hexoxyphenyl)-(sulfinoamino)amino]phenyl]-1,3,5-tri(propan-2-yl)benzene Openeye Name: 2-[3-(2,2-dimethylpropanoylamino)-4-(4-hexoxy-N-(sulfinoamino)anilino)phenyl]-1,3,5-triisopropyl-benzene CAS Name: 2-[3-[(2,2-dimethyl-1-oxopropyl)amino]-4-(4-hexoxy-N-(sulfinoamino)anilino)phenyl]-1,3,5-tri(propan-2-yl)benzene IUPAC Name: 2-[3-(2,2-dimethylpropanoylamino)-4-(4-hexoxy-N-(sulfinoamino)anilino)phenyl]-1,3,5-tri(propan-2-yl)benzene Traditional Name: 2-[4-(4-hexoxy-N-(sulfinoamino)anilino)-3-(pivaloylamino)phenyl]-1,3,5-triisopropyl-benzene Formula: C38H55N3O4S MolecularWeight: 649.926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N(C2=C(C=C(C=C2)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)NC(=O)C(C)(C)C)NS(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N(C2=C(C=C(C=C2)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)NC(=O)C(C)(C)C)NS(=O)O

InChI

InChI=1S/C38H55N3O4S/c1-11-12-13-14-21-45-31-18-16-30(17-19-31)41(40-46(43)44)35-20-15-28(24-34(35)39-37(42)38(8,9)10)36-32(26(4)5)22-29(25(2)3)23-33(36)27(6)7/h15-20,22-27,40H,11-14,21H2,1-10H3,(H,39,42)(H,43,44)