N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3H-isoindol-1-ylidene]cyclohexanecarboxamide

Systemtic Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3H-isoindol-1-ylidene]cyclohexanecarboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]isoindolin-1-ylidene]cyclohexanecarboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3H-isoindol-1-ylidene]cyclohexanecarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3H-isoindol-1-ylidene]cyclohexanecarboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]isoindolin-1-ylidene]cyclohexanecarboxamide Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4CCCCC4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4CCCCC4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H35N3O3S/c1-21-15-16-24(19-26(21)35(33,34)30-17-9-2-3-10-18-30)31-20-23-13-7-8-14-25(23)27(31)29-28(32)22-11-5-4-6-12-22/h7-8,13-16,19,22H,2-6,9-12,17-18,20H2,1H3