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

Systemtic Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3H-isoindol-1-ylidene]pyridine-4-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]isoindolin-1-ylidene]pyridine-4-carboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3H-isoindol-1-ylidene]-4-pyridinecarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3H-isoindol-1-ylidene]pyridine-4-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]isoindolin-1-ylidene]isonicotinamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=NC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=NC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H28N4O3S/c1-20-10-11-23(18-25(20)35(33,34)30-16-6-2-3-7-17-30)31-19-22-8-4-5-9-24(22)26(31)29-27(32)21-12-14-28-15-13-21/h4-5,8-15,18H,2-3,6-7,16-17,19H2,1H3