N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(Z)-[(2S)-1,2-dimethylbutylidene]amino]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(Z)-[(2S)-1,2-dimethylbutylidene]amino]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2)C

Isomeric SMILES

CC[C@H](C)/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2)/C

InChI

InChI=1S/C16H24N4O5S/c1-4-12(2)13(3)17-18-15-6-5-14(20(21)22)11-16(15)26(23,24)19-7-9-25-10-8-19/h5-6,11-12,18H,4,7-10H2,1-3H3/b17-13-/t12-/m0/s1