N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]naphthalene-2-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]naphthalene-2-carboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]naphthalene-2-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-2-naphthamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O4S/c1-19-10-13-23(17-24(19)34(32,33)29-14-6-2-3-7-15-29)28-25(30)18-27-26(31)22-12-11-20-8-4-5-9-21(20)16-22/h4-5,8-13,16-17H,2-3,6-7,14-15,18H2,1H3,(H,27,31)(H,28,30)