4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(3-phenylprop-2-ynyl)aniline

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(3-phenylprop-2-ynyl)aniline Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-(3-phenylprop-2-ynyl)aniline CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-(3-phenylprop-2-ynyl)aniline IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(3-phenylprop-2-ynyl)aniline Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-(3-phenylprop-2-ynyl)amine Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-17-11-14-23(15-12-17)29(27,28)19-9-10-20(21(16-19)24(25)26)22-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,16-17,22H,11-15H2,1H3