N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

Systemtic Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl]oxolane-2-carboxamide Openeye Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl]tetrahydrofuran-2-carboxamide CAS Name: N-[3-[[3-(1-azepanylsulfonyl)-4-methylanilino]-oxomethyl]phenyl]-2-oxolanecarboxamide IUPAC Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide Traditional Name: N-[3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl]tetrahydrofuran-2-carboxamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O5S/c1-18-11-12-21(17-23(18)34(31,32)28-13-4-2-3-5-14-28)26-24(29)19-8-6-9-20(16-19)27-25(30)22-10-7-15-33-22/h6,8-9,11-12,16-17,22H,2-5,7,10,13-15H2,1H3,(H,26,29)(H,27,30)