[4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl] ethanoate

Systemtic Name: [4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl] ethanoate Openeye Name: [4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [4-[[3-(1-azepanylsulfonyl)-4-methylanilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]phenyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-16-7-10-19(15-21(16)30(27,28)24-13-5-3-4-6-14-24)23-22(26)18-8-11-20(12-9-18)29-17(2)25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)