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2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name:2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide
Openeye Name:N-(benzylcarbamoyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CAS Name:2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide
IUPAC Name:N-(benzylcarbamoyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
Traditional Name:N-(benzylcarbamoyl)-2-[4-(3-nitrophenyl)sulfonylpiperazino]propionamide
Formula: C21H25N5O6S
MolecularWeight: 475.5181
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]


Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]


InChI

InChI=1S/C21H25N5O6S/c1-16(20(27)23-21(28)22-15-17-6-3-2-4-7-17)24-10-12-25(13-11-24)33(31,32)19-9-5-8-18(14-19)26(29)30/h2-9,14,16H,10-13,15H2,1H3,(H2,22,23,27,28)


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