N-(1-adamantylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(1-adamantylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-adamantylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-tosyl-1,4-diazepane-1-carboxamide Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O3S/c1-18-3-5-22(6-4-18)31(29,30)27-8-2-7-26(9-10-27)23(28)25-17-24-14-19-11-20(15-24)13-21(12-19)16-24/h3-6,19-21H,2,7-17H2,1H3,(H,25,28)