2-[methoxy-[3-methoxy-5-[(4-methylphenyl)-sulfinato-amino]phenyl]methylidene]adamantane

Systemtic Name: 2-[methoxy-[3-methoxy-5-[(4-methylphenyl)-sulfinato-amino]phenyl]methylidene]adamantane Openeye Name: 2-[methoxy-[3-methoxy-5-(4-methyl-N-sulfinato-anilino)phenyl]methylene]adamantane CAS Name: 2-[methoxy-[3-methoxy-5-(4-methyl-N-sulfinatoanilino)phenyl]methylidene]adamantane IUPAC Name: 2-[methoxy-[3-methoxy-5-(4-methyl-N-sulfinatoanilino)phenyl]methylidene]adamantane Traditional Name: 2-[methoxy-[3-methoxy-5-(4-methyl-N-sulfinato-anilino)phenyl]methylene]adamantane Formula: C26H30NO4S- MolecularWeight: 452.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC(=CC(=C2)C(=C3C4CC5CC(C4)CC3C5)OC)OC)S(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC(=CC(=C2)C(=C3C4CC5CC(C4)CC3C5)OC)OC)S(=O)[O-]

InChI

InChI=1S/C26H31NO4S/c1-16-4-6-22(7-5-16)27(32(28)29)23-13-21(14-24(15-23)30-2)26(31-3)25-19-9-17-8-18(11-19)12-20(25)10-17/h4-7,13-15,17-20H,8-12H2,1-3H3,(H,28,29)/p-1