N-[1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]-3-phenyl-propanamide

Systemtic Name: N-[1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperidin-4-yl]-3-phenyl-propanamide Openeye Name: N-[1-(5-nitrobenzothiophene-2-carbonyl)-4-piperidyl]-3-phenyl-propanamide CAS Name: N-[1-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinyl]-3-phenylpropanamide IUPAC Name: N-[1-(5-nitro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-3-phenylpropanamide Traditional Name: N-[1-(5-nitrobenzothiophene-2-carbonyl)-4-piperidyl]-3-phenyl-propionamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NC(=O)CCC2=CC=CC=C2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4S/c27-22(9-6-16-4-2-1-3-5-16)24-18-10-12-25(13-11-18)23(28)21-15-17-14-19(26(29)30)7-8-20(17)31-21/h1-5,7-8,14-15,18H,6,9-13H2,(H,24,27)