N-[3-[[4-methyl-3-(phenylsulfonylamino)phenyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[4-methyl-3-(phenylsulfonylamino)phenyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[3-(benzenesulfonamido)-4-methyl-anilino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[3-(benzenesulfonamido)-4-methylanilino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[3-(benzenesulfonamido)-4-methylanilino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[3-(benzenesulfonamido)-4-methyl-anilino]-3-keto-propyl]adamantane-1-carboxamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H33N3O4S/c1-18-7-8-22(14-24(18)30-35(33,34)23-5-3-2-4-6-23)29-25(31)9-10-28-26(32)27-15-19-11-20(16-27)13-21(12-19)17-27/h2-8,14,19-21,30H,9-13,15-17H2,1H3,(H,28,32)(H,29,31)