N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-nitro-benzenesulfonamide Openeye Name: N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]-4-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(methylamino)-1-oxopentyl]-4-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-nitrobenzenesulfonamide Traditional Name: N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(methylamino)pentanoyl]-4-piperidyl]-3-nitro-benzenesulfonamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)N(C2CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C21H32N4O5S/c1-15(2)13-20(22-3)21(26)23-11-9-17(10-12-23)24(16-7-8-16)31(29,30)19-6-4-5-18(14-19)25(27)28/h4-6,14-17,20,22H,7-13H2,1-3H3/t20-/m0/s1