[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazino]-pyrrolidino-methanone Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O5S/c1-17-5-4-10-25(16-17)32(30,31)18-6-7-19(20(15-18)26(28)29)22-11-13-24(14-12-22)21(27)23-8-2-3-9-23/h6-7,15,17H,2-5,8-14,16H2,1H3/t17-/m0/s1