N-[4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[(3S)-3-(azepane-1-carbonyl)piperidino]sulfonylphenyl]acetamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O4S/c1-16(24)21-18-8-10-19(11-9-18)28(26,27)23-14-6-7-17(15-23)20(25)22-12-4-2-3-5-13-22/h8-11,17H,2-7,12-15H2,1H3,(H,21,24)/t17-/m0/s1